class easyreflectometry.sample.elements.layers.layer_area_per_molecule.LayerAreaPerMolecule[source]#

Bases: Layer

The LayerAreaPerMolecule class allows a layer to be defined in terms of some molecular formula an area per molecule, and a solvent.

material: MaterialSolvated#

Material that makes up the layer.

__init__(molecular_formula=None, thickness=None, solvent=None, solvent_fraction=None, area_per_molecule=None, roughness=None, name='EasyLayerAreaPerMolecule', interface=None)[source]#


  • molecular_formula (Optional[str]) – Formula for the molecule in the layer.

  • thickness (Union[Parameter, float, None]) – Layer thickness in Angstrom.

  • solvent (Optional[Material]) – Solvent containing the molecule.

  • solvent_fraction (Union[Parameter, float, None]) – Fraction of solvent in layer. Fx solvation or surface coverage.

  • area_per_molecule (Union[Parameter, float, None]) – Area per molecule in the layer

  • roughness (Union[Parameter, float, None]) – Upper roughness on the layer in Angstrom.

  • name (str) – Name of the layer, defaults to “EasyLayerAreaPerMolecule”

  • interface – Interface object, defaults to None

property area_per_molecule_parameter: Parameter#

Get the parameter for area per molecule.

property area_per_molecule: float#

Get the area per molecule.

property molecule: Material#

Get the molecule material.

property solvent: Material#

Get the solvent material.

property solvent_fraction_parameter: float#

Get parameter for the fraction of the layer occupied by the solvent.

property solvent_fraction: float#

Get the fraction of the layer occupied by the solvent. This could be a result of either water solvating the molecule, or incomplete surface coverage of the molecules.

user_data: dict#
property molecular_formula: str#

Get the formula of molecule the layer.


Produces a cleaned dict using a custom as_dict method to skip necessary things. The resulting dict matches the parameters in __init__


skip (Optional[list]) – List of keys to skip, defaults to None.

Return type:

dict[str, str]